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. 2023 Feb 28;28(5):2270. doi: 10.3390/molecules28052270

Table 3.

Multi-parameter QSRR models derived from the 23 model compounds.

pH logD–logkw N R 2
7.0 logD = (1.02 ± 0.06) logkw − (0.85 ± 0.14) ne − (0.12 ± 0.12) 23 0.946
8.0 logD = (0.96 ± 0.04) logkw − (0.54 ± 0.10) ne − (0.09 ± 0.06) 23 0.976
9.0 logD = (0.93 ± 0.04) logkw − (0.29 ± 0.17) ne + (0.21 ± 0.24) A − (0.49 ± 0.26) B + (0.21 ± 0.20) 23 0.976
10.0 logD = (0.92 ± 0.04) logkw − (0.67 ± 0.78) ne − (0.30 ± 0.24) A − (0.62 ± 0.26) B + (0.26 ± 0.20) 23 0.978